1-methyl-N-propan-2-ylpyrazol-4-amine;hydrochloride

C7H14ClN3 — CID 155858284

IUPAC1-methyl-N-propan-2-ylpyrazol-4-amine;hydrochloride
SMILESCC(C)Nc1cnn(C)c1.Cl
InChIInChI=1S/C7H13N3.ClH/c1-6(2)9-7-4-8-10(3)5-7;/h4-6,9H,1-3H3;1H
InChIKeyVJNZZPGCRATSOW-UHFFFAOYSA-N
MW175.66 g/mol
LogP1.66
Rot. Bonds2

About 1-methyl-N-propan-2-ylpyrazol-4-amine;hydrochloride

1-methyl-N-propan-2-ylpyrazol-4-amine;hydrochloride (PubChem CID 155858284) has the molecular formula C7H14ClN3 and a molecular weight of 175.66 g/mol. Its IUPAC name is 1-methyl-N-propan-2-ylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-methyl-N-propan-2-ylpyrazol-4-amine;hydrochloride
PubChem CID155858284
Molecular FormulaC7H14ClN3
Molecular Weight175.66 g/mol
Exact Mass175.09
IUPAC Name1-methyl-N-propan-2-ylpyrazol-4-amine;hydrochloride
SMILESCC(C)Nc1cnn(C)c1.Cl
InChIInChI=1S/C7H13N3.ClH/c1-6(2)9-7-4-8-10(3)5-7;/h4-6,9H,1-3H3;1H
InChIKeyVJNZZPGCRATSOW-UHFFFAOYSA-N
XLogP1.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylpyrazol-4-yl)hydrazine;hydrochloride
CID 154730377
2-[(1-methylpyrazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 79769934
4-[1-[(1-methylpyrazol-4-yl)amino]ethyl]phenol
CID 43534964
N-[(2R)-heptan-2-yl]-1-methylpyrazol-4-amine
CID 93104217
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpyrazol-4-amine
CID 65192064
methyl 2-methyl-3-[(1-methylpyrazol-4-yl)amino]butanoate
CID 79778645
N-(1-cyclobutylpropyl)-1-methylpyrazol-4-amine
CID 130646663
N-[(2R)-4-methoxy-4-methylpentan-2-yl]-1-methylpyrazol-4-amine
CID 93104190
N-carbamoyl-2-[(1-methylpyrazol-4-yl)amino]propanamide
CID 79778444
1-methyl-N-(1-thiophen-3-ylethyl)pyrazol-4-amine
CID 62090667
N-[1-(5-bromothiophen-2-yl)ethyl]-1-methylpyrazol-4-amine
CID 61000192
1-(azepan-1-yl)-3-[(1-methylpyrazol-4-yl)amino]butan-1-one
CID 75497371

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-propan-2-ylpyrazol-4-amine;hydrochloride?
The IUPAC name of 1-methyl-N-propan-2-ylpyrazol-4-amine;hydrochloride (CID 155858284) is 1-methyl-N-propan-2-ylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-methyl-N-propan-2-ylpyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-methyl-N-propan-2-ylpyrazol-4-amine;hydrochloride is CC(C)Nc1cnn(C)c1.Cl.
What is the InChIKey of 1-methyl-N-propan-2-ylpyrazol-4-amine;hydrochloride?
The InChIKey is VJNZZPGCRATSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.ClH/c1-6(2)9-7-4-8-10(3)5-7;/h4-6,9H,1-3H3;1H.
What are the key properties of 1-methyl-N-propan-2-ylpyrazol-4-amine;hydrochloride?
1-methyl-N-propan-2-ylpyrazol-4-amine;hydrochloride has a molecular weight of 175.66 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-propan-2-ylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 155858284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).